smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1)c1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1 ZINC000006096834 204165945 /nfs/dbraw/zinc/16/59/45/204165945.db2.gz WFYDBDOXSCEPSH-UHFFFAOYSA-N 2 2 379.504 3.836 1 10 GHCFLP CC(C)(C)CCNc1cc(N[C@H]2CC[N@H+](Cc3cccc(F)c3O)C2)nc[nH+]1 ZINC000073158180 208033631 /nfs/dbraw/zinc/03/36/31/208033631.db2.gz RBSBBGZWUIWZIJ-INIZCTEOSA-N 2 2 387.503 3.856 1 10 GHCFLP CC(C)(C)CCNc1cc(N[C@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)nc[nH+]1 ZINC000073158180 208033637 /nfs/dbraw/zinc/03/36/37/208033637.db2.gz RBSBBGZWUIWZIJ-INIZCTEOSA-N 2 2 387.503 3.856 1 10 GHCFLP